Name: Name:4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid
Brand: Angene
SKU: AG01DHM1
Rating: 90 (10 reviews)

4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid

CAS No.:

176309-00-5

Catalog Number:

AG01DHM1

Molecular Formula:

C9H9ClO4S

Molecular Weight:

248.6834

Catalog Number:

AG01DHM1

Chemical Name:

4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid

CAS Number:

176309-00-5

Molecular Formula:

C9H9ClO4S

Molecular Weight:

248.6834

MDL Number:

MFCD21099591

IUPAC Name:

4-chloro-2-methyl-5-methylsulfonylbenzoic acid

InChI:

InChI=1S/C9H9ClO4S/c1-5-3-7(10)8(15(2,13)14)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)

InChI Key:

YGYZEHXIHONBML-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(c(cc1C)Cl)S(=O)(=O)C

Complexity:

346

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.677g/mol

Monoisotopic Mass:

247.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7